UCSF

ZINC19089400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 13 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.55 -0.89 -7.39 3 4 0 64 178.191 1
Mid Mid (pH 6-8) -1.55 -0.58 -44.17 4 4 1 66 179.199 1
Mid Mid (pH 6-8) -1.55 -0.58 -44.18 4 4 1 66 179.199 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )